4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C17H15Cl2F3N4O2 — CID 3762937

IUPAC4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H15Cl2F3N4O2/c18-13-9-23-10-14(19)15(13)25-5-7-26(8-6-25)16(27)24-11-1-3-12(4-2-11)28-17(20,21)22/h1-4,9-10H,5-8H2,(H,24,27)
InChIKeyLGJDJPMDGKOSDR-UHFFFAOYSA-N
MW435.23 g/mol
LogP4.64
Rot. Bonds3

About 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 3762937) has the molecular formula C17H15Cl2F3N4O2 and a molecular weight of 435.23 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID3762937
Molecular FormulaC17H15Cl2F3N4O2
Molecular Weight435.23 g/mol
Exact Mass434.05
IUPAC Name4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C17H15Cl2F3N4O2/c18-13-9-23-10-14(19)15(13)25-5-7-26(8-6-25)16(27)24-11-1-3-12(4-2-11)28-17(20,21)22/h1-4,9-10H,5-8H2,(H,24,27)
InChIKeyLGJDJPMDGKOSDR-UHFFFAOYSA-N
XLogP4.64
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 3762937) is 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is LGJDJPMDGKOSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N4O2/c18-13-9-23-10-14(19)15(13)25-5-7-26(8-6-25)16(27)24-11-1-3-12(4-2-11)28-17(20,21)22/h1-4,9-10H,5-8H2,(H,24,27).
What are the key properties of 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 435.23 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 3762937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).